(2Z,4E)-(1'S,3'R)-3′-hydroxy-gamma-ionylideneacetic acid (CHEBI:217861)

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CHEBI:217861 - (2Z,4E)-(1'S,3'R)-3′-hydroxy-gamma-ionylideneacetic acid

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ChEBI ID	CHEBI:217861
ChEBI Name	(2Z,4E)-(1'S,3'R)-3′-hydroxy-gamma-ionylideneacetic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H22O3
Net Charge	0
Average Mass	250.338
Monoisotopic Mass	250.15689
SMILES	C=C1CC[C@@H](O)C(C)(C)[C@H]1/C=C/C(C)=C\C(=O)O
InChI	InChI=1S/C15H22O3/c1-10(9-14(17)18)5-7-12-11(2)6-8-13(16)15(12,3)4/h5,7,9,12-13,16H,2,6,8H2,1,3-4H3,(H,17,18)/b7-5+,10-9-/t12-,13+/m0/s1
InChIKey	XDRODHLVFJLYRJ-ICVCPDOKSA-N

Species of Metabolite	Component	Source	Comments
Pseudocercospora cruenta (ncbitaxon:179343)	-	DOI (10.1016/0031-9422(94)00702-u)

ChEBI Ontology

Outgoing Relation(s)
	(2Z,4E)-(1'S,3'R)-3′-hydroxy-gamma-ionylideneacetic acid (CHEBI:217861) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(2Z,4E)-5-[(1S,3R)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpenta-2,4-dienoic acid

Manual Xrefs	Databases
78438146	ChemSpider